4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C75H40FN9O4 — CID 142336487

IUPAC4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccc2oc3c(-c4cccc(-c5ccnc6c5oc5c(-c7ccccn7)cc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccc9oc%10c(-c%11ccc(-c%12ncnc%13c%12oc%12ccccc%12%13)cc%11)ccnc%10c9c8)n7)cc56)c4)nccc3c2c1
InChIInChI=1S/C75H40FN9O4/c76-48-25-27-61-55(39-48)52-30-34-78-64(71(52)86-61)45-14-10-13-44(35-45)51-29-33-80-67-58-38-47(37-56(68(58)89-70(51)67)59-18-8-9-31-77-59)49-15-4-5-16-53(49)75-84-73(43-11-2-1-3-12-43)83-74(85-75)46-24-26-62-57(36-46)66-69(87-62)50(28-32-79-66)41-20-22-42(23-21-41)63-72-65(82-40-81-63)54-17-6-7-19-60(54)88-72/h1-40H
InChIKeyRIBWLACRLKOWFV-UHFFFAOYSA-N
MW1150.20 g/mol
LogP18.98
Rot. Bonds9

About 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 142336487) has the molecular formula C75H40FN9O4 and a molecular weight of 1150.20 g/mol. Its IUPAC name is 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID142336487
Molecular FormulaC75H40FN9O4
Molecular Weight1150.20 g/mol
Exact Mass1149.32
IUPAC Name4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1ccc2oc3c(-c4cccc(-c5ccnc6c5oc5c(-c7ccccn7)cc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccc9oc%10c(-c%11ccc(-c%12ncnc%13c%12oc%12ccccc%12%13)cc%11)ccnc%10c9c8)n7)cc56)c4)nccc3c2c1
InChIInChI=1S/C75H40FN9O4/c76-48-25-27-61-55(39-48)52-30-34-78-64(71(52)86-61)45-14-10-13-44(35-45)51-29-33-80-67-58-38-47(37-56(68(58)89-70(51)67)59-18-8-9-31-77-59)49-15-4-5-16-53(49)75-84-73(43-11-2-1-3-12-43)83-74(85-75)46-24-26-62-57(36-46)66-69(87-62)50(28-32-79-66)41-20-22-42(23-21-41)63-72-65(82-40-81-63)54-17-6-7-19-60(54)88-72/h1-40H
InChIKeyRIBWLACRLKOWFV-UHFFFAOYSA-N
XLogP18.98
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.20
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 89994793
8-[4-(2,6-Diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 90352522
8-[4-[4-Phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 117659653
12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118543240
N-[2-[2-[6-(2-fluoro-4-pyridinyl)-4-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1-benzofuran-7-yl]ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 123216835
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(8-fluoro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 126572676
propan-2-yl (2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(8-fluoro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 126572677
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(8-fluoro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]acetic acid
CID 126587375
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(8-fluoro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]acetate
CID 126587380
propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(9-fluoro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]acetate
CID 126587381
N-[2-[2-[6-(2-fluoro-4-pyridinyl)-4-[6-[[(2S)-3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1-benzofuran-7-yl]ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 135217350
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)phenyl]-4,6-dimethylpyrimidin-5-amine
CID 137538121

Frequently Asked Questions

What is the IUPAC name of 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 142336487) is 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is Fc1ccc2oc3c(-c4cccc(-c5ccnc6c5oc5c(-c7ccccn7)cc(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccc9oc%10c(-c%11ccc(-c%12ncnc%13c%12oc%12ccccc%12%13)cc%11)ccnc%10c9c8)n7)cc56)c4)nccc3c2c1.
What is the InChIKey of 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RIBWLACRLKOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H40FN9O4/c76-48-25-27-61-55(39-48)52-30-34-78-64(71(52)86-61)45-14-10-13-44(35-45)51-29-33-80-67-58-38-47(37-56(68(58)89-70(51)67)59-18-8-9-31-77-59)49-15-4-5-16-53(49)75-84-73(43-11-2-1-3-12-43)83-74(85-75)46-24-26-62-57(36-46)66-69(87-62)50(28-32-79-66)41-20-22-42(23-21-41)63-72-65(82-40-81-63)54-17-6-7-19-60(54)88-72/h1-40H.
What are the key properties of 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1150.20 g/mol, XLogP of 18.98, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-[4-[2-[4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 142336487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).